SCHEMBL21037484

SCHEMBL21037484

Cn1nc(C(=O)OCc2ccccc2)nc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 5/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
JMJD6 Q6NYC1 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20154227 0.83 TDP1 (0.50) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL21037483 0.82 ALDH1A1 (0.52) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL22342960 0.81 ADORA3 (0.46) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL21037180 0.79 ADORA3 (0.46) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL29067630 0.77 ADORA3 (0.45) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL14768871 0.75 TDP1 (0.66) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL22005651 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL17132103 0.72 TDP1 (0.50) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL22005653 0.72 JMJD6 (0.52) ADORA3ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL20154213 0.72 ADORA3 (0.47) ADORA3ALDH1A1KMT2ATDP1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386973-B1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-12 EP disclosed
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 ADORA3 339/4885ALDH1A1 533/4885KMT2A 1718/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.